# generated using pymatgen
data_Ca4LaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81799367
_cell_length_b   7.52426109
_cell_length_c   16.55297804
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4LaRu
_chemical_formula_sum   'Ca16 La4 Ru4'
_cell_volume   849.17380706
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.34929607  0.30786156  0.05913955  1.0
  Ca  Ca1  1  0.65070393  0.69213844  0.94086045  1.0
  Ca  Ca2  1  0.84929607  0.19213844  0.94086045  1.0
  Ca  Ca3  1  0.65070393  0.69213844  0.55913955  1.0
  Ca  Ca4  1  0.15070393  0.80786156  0.05913955  1.0
  Ca  Ca5  1  0.34929607  0.30786156  0.44086045  1.0
  Ca  Ca6  1  0.15070393  0.80786156  0.44086045  1.0
  Ca  Ca7  1  0.84929607  0.19213844  0.55913955  1.0
  Ca  Ca8  1  0.32151160  0.03618994  0.64616503  1.0
  Ca  Ca9  1  0.67848840  0.96381006  0.35383497  1.0
  Ca  Ca10  1  0.82151160  0.46381006  0.35383497  1.0
  Ca  Ca11  1  0.67848840  0.96381006  0.14616503  1.0
  Ca  Ca12  1  0.17848840  0.53618994  0.64616503  1.0
  Ca  Ca13  1  0.32151160  0.03618994  0.85383497  1.0
  Ca  Ca14  1  0.17848840  0.53618994  0.85383497  1.0
  Ca  Ca15  1  0.82151160  0.46381006  0.14616503  1.0
  La  La16  1  0.15449892  0.07273359  0.25000000  1.0
  La  La17  1  0.84550108  0.92726641  0.75000000  1.0
  La  La18  1  0.65449892  0.42726641  0.75000000  1.0
  La  La19  1  0.34550108  0.57273359  0.25000000  1.0
  Ru  Ru20  1  0.48888133  0.27972989  0.25000000  1.0
  Ru  Ru21  1  0.51111867  0.72027011  0.75000000  1.0
  Ru  Ru22  1  0.98888133  0.22027011  0.75000000  1.0
  Ru  Ru23  1  0.01111867  0.77972989  0.25000000  1.0